Compound Detail
CHEMBL5740276
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Cc1cc(S(=O)(=O)Nc2cscn2)c(F)cc1N(C)[C@H]1CCN(C2CC(c3ccccc3)C2)C1
Basic Information
| ChEMBL ID | CHEMBL5740276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTHPLXSKXVTVMI-KBWCOIMZSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
500.7
MW (Da)
4.85
ALogP
6
HBA
1
HBD
65.5
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 5.95 | 5.895 | 1114.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.7 | 5.6 | 1988.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha | IC50 | = | 1114.0 | nM | 5.95 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 1445.0 | nM | 5.84 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
| Unchecked | IC50 | = | 1988.0 | nM | 5.7 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
| Unchecked | IC50 | = | 2263.0 | nM | 5.64 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
| Unchecked | IC50 | = | 2803.0 | nM | 5.55 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
| Unchecked | IC50 | = | 3089.0 | nM | 5.51 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
Data from ChEMBL 36 via Core Engine